### Bacteriochlorophyl with a carbon tail to C20 
### 2 redox states: 0, +1 -Agnes

CONFLIST BCB        BCBBK BCB01 BCB+1

NATOM    BCBBK      19
NATOM    BCB01      82
NATOM    BCB+1      82


IATOM    BCBBK  C2  0
IATOM    BCBBK  C3  1
IATOM    BCBBK  C4  2
IATOM    BCBBK  C5  3
IATOM    BCBBK  C6  4
IATOM    BCBBK  C7  5
IATOM    BCBBK  C8  6
IATOM    BCBBK  C9  7
IATOM    BCBBK  C10 8
IATOM    BCBBK  C11 9
IATOM    BCBBK  C12 10
IATOM    BCBBK  C13 11
IATOM    BCBBK  C14 12
IATOM    BCBBK  C15 13
IATOM    BCBBK  C16 14
IATOM    BCBBK  C17 15
IATOM    BCBBK  C18 16
IATOM    BCBBK  C19 17
IATOM    BCBBK  C20 18
IATOM    BCB01 MG   0
IATOM    BCB01  CHA 1
IATOM    BCB01  CHB 2
IATOM    BCB01  CHC 3
IATOM    BCB01  CHD 4
IATOM    BCB01  N A 5
IATOM    BCB01  C1A 6
IATOM    BCB01  C2A 7
IATOM    BCB01  C3A 8
IATOM    BCB01  C4A 9
IATOM    BCB01  CMA 10
IATOM    BCB01  CAA 11
IATOM    BCB01  CBA 12
IATOM    BCB01  CGA 13
IATOM    BCB01  O1A 14
IATOM    BCB01  O2A 15
IATOM    BCB01  N B 16
IATOM    BCB01  C1B 17
IATOM    BCB01  C2B 18
IATOM    BCB01  C3B 19
IATOM    BCB01  C4B 20
IATOM    BCB01  CMB 21
IATOM    BCB01  CAB 22
IATOM    BCB01  OBB 23
IATOM    BCB01  CBB 24
IATOM    BCB01  N C 25
IATOM    BCB01  C1C 26
IATOM    BCB01  C2C 27
IATOM    BCB01  C3C 28
IATOM    BCB01  C4C 29
IATOM    BCB01  CMC 30
IATOM    BCB01  CAC 31
IATOM    BCB01  CBC 32
IATOM    BCB01  N D 33
IATOM    BCB01  C1D 34
IATOM    BCB01  C2D 35
IATOM    BCB01  C3D 36
IATOM    BCB01  C4D 37
IATOM    BCB01  CMD 38
IATOM    BCB01  CAD 39
IATOM    BCB01  OBD 40
IATOM    BCB01  CBD 41
IATOM    BCB01  CGD 42
IATOM    BCB01  O1D 43
IATOM    BCB01  O2D 44
IATOM    BCB01  CED 45
IATOM    BCB01  C1  46
IATOM    BCB01  HHB 47
IATOM    BCB01  HHC 48
IATOM    BCB01  HHD 49
IATOM    BCB01  H2A 50
IATOM    BCB01  H3A 51
IATOM    BCB01 1HMA 52
IATOM    BCB01 2HMA 53
IATOM    BCB01 3HMA 54
IATOM    BCB01 1HAA 55
IATOM    BCB01 2HAA 56
IATOM    BCB01 1HBA 57
IATOM    BCB01 2HBA 58
IATOM    BCB01 1HMB 59
IATOM    BCB01 2HMB 60
IATOM    BCB01 3HMB 61
IATOM    BCB01 1HBB 62
IATOM    BCB01 2HBB 63
IATOM    BCB01 3HBB 64
IATOM    BCB01 1HMC 65
IATOM    BCB01 2HMC 66
IATOM    BCB01 3HMC 67
IATOM    BCB01 1HAC 68
IATOM    BCB01 2HAC 69
IATOM    BCB01 1HBC 70
IATOM    BCB01 2HBC 71
IATOM    BCB01 3HBC 72
IATOM    BCB01 1HMD 73
IATOM    BCB01 2HMD 74
IATOM    BCB01 3HMD 75
IATOM    BCB01  HBD 76
IATOM    BCB01 1HED 77
IATOM    BCB01 2HED 78
IATOM    BCB01 3HED 79
IATOM    BCB01 1H1  80
IATOM    BCB01 2H1  81
IATOM    BCB+1 MG   0
IATOM    BCB+1  CHA 1
IATOM    BCB+1  CHB 2
IATOM    BCB+1  CHC 3
IATOM    BCB+1  CHD 4
IATOM    BCB+1  N A 5
IATOM    BCB+1  C1A 6
IATOM    BCB+1  C2A 7
IATOM    BCB+1  C3A 8
IATOM    BCB+1  C4A 9
IATOM    BCB+1  CMA 10
IATOM    BCB+1  CAA 11
IATOM    BCB+1  CBA 12
IATOM    BCB+1  CGA 13
IATOM    BCB+1  O1A 14
IATOM    BCB+1  O2A 15
IATOM    BCB+1  N B 16
IATOM    BCB+1  C1B 17
IATOM    BCB+1  C2B 18
IATOM    BCB+1  C3B 19
IATOM    BCB+1  C4B 20
IATOM    BCB+1  CMB 21
IATOM    BCB+1  CAB 22
IATOM    BCB+1  OBB 23
IATOM    BCB+1  CBB 24
IATOM    BCB+1  N C 25
IATOM    BCB+1  C1C 26
IATOM    BCB+1  C2C 27
IATOM    BCB+1  C3C 28
IATOM    BCB+1  C4C 29
IATOM    BCB+1  CMC 30
IATOM    BCB+1  CAC 31
IATOM    BCB+1  CBC 32
IATOM    BCB+1  N D 33
IATOM    BCB+1  C1D 34
IATOM    BCB+1  C2D 35
IATOM    BCB+1  C3D 36
IATOM    BCB+1  C4D 37
IATOM    BCB+1  CMD 38
IATOM    BCB+1  CAD 39
IATOM    BCB+1  OBD 40
IATOM    BCB+1  CBD 41
IATOM    BCB+1  CGD 42
IATOM    BCB+1  O1D 43
IATOM    BCB+1  O2D 44
IATOM    BCB+1  CED 45
IATOM    BCB+1  C1  46
IATOM    BCB+1  HHB 47
IATOM    BCB+1  HHC 48
IATOM    BCB+1  HHD 49
IATOM    BCB+1  H2A 50
IATOM    BCB+1  H3A 51
IATOM    BCB+1 1HMA 52
IATOM    BCB+1 2HMA 53
IATOM    BCB+1 3HMA 54
IATOM    BCB+1 1HAA 55
IATOM    BCB+1 2HAA 56
IATOM    BCB+1 1HBA 57
IATOM    BCB+1 2HBA 58
IATOM    BCB+1 1HMB 59
IATOM    BCB+1 2HMB 60
IATOM    BCB+1 3HMB 61
IATOM    BCB+1 1HBB 62
IATOM    BCB+1 2HBB 63
IATOM    BCB+1 3HBB 64
IATOM    BCB+1 1HMC 65
IATOM    BCB+1 2HMC 66
IATOM    BCB+1 3HMC 67
IATOM    BCB+1 1HAC 68
IATOM    BCB+1 2HAC 69
IATOM    BCB+1 1HBC 70
IATOM    BCB+1 2HBC 71
IATOM    BCB+1 3HBC 72
IATOM    BCB+1 1HMD 73
IATOM    BCB+1 2HMD 74
IATOM    BCB+1 3HMD 75
IATOM    BCB+1  HBD 76
IATOM    BCB+1 1HED 77
IATOM    BCB+1 2HED 78
IATOM    BCB+1 3HED 79
IATOM    BCB+1 1H1  80
IATOM    BCB+1 2H1  81


ATOMNAME BCBBK    0  C2
ATOMNAME BCBBK    1  C3
ATOMNAME BCBBK    2  C4
ATOMNAME BCBBK    3  C5
ATOMNAME BCBBK    4  C6
ATOMNAME BCBBK    5  C7
ATOMNAME BCBBK    6  C8
ATOMNAME BCBBK    7  C9
ATOMNAME BCBBK    8  C10
ATOMNAME BCBBK    9  C11
ATOMNAME BCBBK   10  C12
ATOMNAME BCBBK   11  C13
ATOMNAME BCBBK   12  C14
ATOMNAME BCBBK   13  C15
ATOMNAME BCBBK   14  C16
ATOMNAME BCBBK   15  C17
ATOMNAME BCBBK   16  C18
ATOMNAME BCBBK   17  C19
ATOMNAME BCBBK   18  C20
ATOMNAME BCB01    0 MG
ATOMNAME BCB01    1  CHA
ATOMNAME BCB01    2  CHB
ATOMNAME BCB01    3  CHC
ATOMNAME BCB01    4  CHD
ATOMNAME BCB01    5  N A
ATOMNAME BCB01    6  C1A
ATOMNAME BCB01    7  C2A
ATOMNAME BCB01    8  C3A
ATOMNAME BCB01    9  C4A
ATOMNAME BCB01   10  CMA
ATOMNAME BCB01   11  CAA
ATOMNAME BCB01   12  CBA
ATOMNAME BCB01   13  CGA
ATOMNAME BCB01   14  O1A
ATOMNAME BCB01   15  O2A
ATOMNAME BCB01   16  N B
ATOMNAME BCB01   17  C1B
ATOMNAME BCB01   18  C2B
ATOMNAME BCB01   19  C3B
ATOMNAME BCB01   20  C4B
ATOMNAME BCB01   21  CMB
ATOMNAME BCB01   22  CAB
ATOMNAME BCB01   23  OBB
ATOMNAME BCB01   24  CBB
ATOMNAME BCB01   25  N C
ATOMNAME BCB01   26  C1C
ATOMNAME BCB01   27  C2C
ATOMNAME BCB01   28  C3C
ATOMNAME BCB01   29  C4C
ATOMNAME BCB01   30  CMC
ATOMNAME BCB01   31  CAC
ATOMNAME BCB01   32  CBC
ATOMNAME BCB01   33  N D
ATOMNAME BCB01   34  C1D
ATOMNAME BCB01   35  C2D
ATOMNAME BCB01   36  C3D
ATOMNAME BCB01   37  C4D
ATOMNAME BCB01   38  CMD
ATOMNAME BCB01   39  CAD
ATOMNAME BCB01   40  OBD
ATOMNAME BCB01   41  CBD
ATOMNAME BCB01   42  CGD
ATOMNAME BCB01   43  O1D
ATOMNAME BCB01   44  O2D
ATOMNAME BCB01   45  CED
ATOMNAME BCB01   46  C1
ATOMNAME BCB01   47  HHB
ATOMNAME BCB01   48  HHC
ATOMNAME BCB01   49  HHD
ATOMNAME BCB01   50  H2A
ATOMNAME BCB01   51  H3A
ATOMNAME BCB01   52 1HMA
ATOMNAME BCB01   53 2HMA
ATOMNAME BCB01   54 3HMA
ATOMNAME BCB01   55 1HAA
ATOMNAME BCB01   56 2HAA
ATOMNAME BCB01   57 1HBA
ATOMNAME BCB01   58 2HBA
ATOMNAME BCB01   59 1HMB
ATOMNAME BCB01   60 2HMB
ATOMNAME BCB01   61 3HMB
ATOMNAME BCB01   62 1HBB
ATOMNAME BCB01   63 2HBB
ATOMNAME BCB01   64 3HBB
ATOMNAME BCB01   65 1HMC
ATOMNAME BCB01   66 2HMC
ATOMNAME BCB01   67 3HMC
ATOMNAME BCB01   68 1HAC
ATOMNAME BCB01   69 2HAC
ATOMNAME BCB01   70 1HBC
ATOMNAME BCB01   71 2HBC
ATOMNAME BCB01   72 3HBC
ATOMNAME BCB01   73 1HMD
ATOMNAME BCB01   74 2HMD
ATOMNAME BCB01   75 3HMD
ATOMNAME BCB01   76  HBD
ATOMNAME BCB01   77 1HED
ATOMNAME BCB01   78 2HED
ATOMNAME BCB01   79 3HED
ATOMNAME BCB01   80 1H1
ATOMNAME BCB01   81 2H1
ATOMNAME BCB+1   0 MG
ATOMNAME BCB+1    1  CHA
ATOMNAME BCB+1    2  CHB
ATOMNAME BCB+1    3  CHC
ATOMNAME BCB+1    4  CHD
ATOMNAME BCB+1    5  N A
ATOMNAME BCB+1    6  C1A
ATOMNAME BCB+1    7  C2A
ATOMNAME BCB+1    8  C3A
ATOMNAME BCB+1    9  C4A
ATOMNAME BCB+1   10  CMA
ATOMNAME BCB+1   11  CAA
ATOMNAME BCB+1   12  CBA
ATOMNAME BCB+1   13  CGA
ATOMNAME BCB+1   14  O1A
ATOMNAME BCB+1   15  O2A
ATOMNAME BCB+1   16  N B
ATOMNAME BCB+1   17  C1B
ATOMNAME BCB+1   18  C2B
ATOMNAME BCB+1   19  C3B
ATOMNAME BCB+1   20  C4B
ATOMNAME BCB+1   21  CMB
ATOMNAME BCB+1   22  CAB
ATOMNAME BCB+1   23  OBB
ATOMNAME BCB+1   24  CBB
ATOMNAME BCB+1   25  N C
ATOMNAME BCB+1   26  C1C
ATOMNAME BCB+1   27  C2C
ATOMNAME BCB+1   28  C3C
ATOMNAME BCB+1   29  C4C
ATOMNAME BCB+1   30  CMC
ATOMNAME BCB+1   31  CAC
ATOMNAME BCB+1   32  CBC
ATOMNAME BCB+1   33  N D
ATOMNAME BCB+1   34  C1D
ATOMNAME BCB+1   35  C2D
ATOMNAME BCB+1   36  C3D
ATOMNAME BCB+1   37  C4D
ATOMNAME BCB+1   38  CMD
ATOMNAME BCB+1   39  CAD
ATOMNAME BCB+1   40  OBD
ATOMNAME BCB+1   41  CBD
ATOMNAME BCB+1   42  CGD
ATOMNAME BCB+1   43  O1D
ATOMNAME BCB+1   44  O2D
ATOMNAME BCB+1   45  CED
ATOMNAME BCB+1   46  C1
ATOMNAME BCB+1   47  HHB
ATOMNAME BCB+1   48  HHC
ATOMNAME BCB+1   49  HHD
ATOMNAME BCB+1   50  H2A
ATOMNAME BCB+1   51  H3A
ATOMNAME BCB+1   52 1HMA
ATOMNAME BCB+1   53 2HMA
ATOMNAME BCB+1   54 3HMA
ATOMNAME BCB+1   55 1HAA
ATOMNAME BCB+1   56 2HAA
ATOMNAME BCB+1   57 1HBA
ATOMNAME BCB+1   58 2HBA
ATOMNAME BCB+1   59 1HMB
ATOMNAME BCB+1   60 2HMB
ATOMNAME BCB+1   61 3HMB
ATOMNAME BCB+1   62 1HBB
ATOMNAME BCB+1   63 2HBB
ATOMNAME BCB+1   64 3HBB
ATOMNAME BCB+1   65 1HMC
ATOMNAME BCB+1   66 2HMC
ATOMNAME BCB+1   67 3HMC
ATOMNAME BCB+1   68 1HAC
ATOMNAME BCB+1   69 2HAC
ATOMNAME BCB+1   70 1HBC
ATOMNAME BCB+1   71 2HBC
ATOMNAME BCB+1   72 3HBC
ATOMNAME BCB+1   73 1HMD
ATOMNAME BCB+1   74 2HMD
ATOMNAME BCB+1   75 3HMD
ATOMNAME BCB+1   76  HBD
ATOMNAME BCB+1   77 1HED
ATOMNAME BCB+1   78 2HED
ATOMNAME BCB+1   79 3HED
ATOMNAME BCB+1   80 1H1
ATOMNAME BCB+1   81 2H1



PROTON   BCB01      0
PROTON   BCB+1      0


PKA      BCB01      0.0
PKA      BCB+1      0.0


ELECTRON BCB01      0
ELECTRON BCB+1      -1


EM       BCB01      0.0
EM       BCB+1      0.0


RXN      BCB01      -6.2635
RXN      BCB+1      -14.2578

#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  BCBBK  C2  sp2       0     C1  0     C3
CONNECT  BCBBK  C3  sp2       0     C2  0     C4  0     C5
CONNECT  BCBBK  C4  sp3       0     C3
CONNECT  BCBBK  C5  sp3       0     C3  0     C6
CONNECT  BCBBK  C6  sp3       0     C5  0     C7
CONNECT  BCBBK  C7  sp3       0     C6  0     C8
CONNECT  BCBBK  C8  sp3       0     C7  0     C9  0     C10
CONNECT  BCBBK  C9  sp3       0     C8
CONNECT  BCBBK  C10 sp3       0     C8  0     C11
CONNECT  BCBBK  C11 sp3       0     C10 0     C12
CONNECT  BCBBK  C12 sp3       0     C11 0     C13
CONNECT  BCBBK  C13 sp3       0     C12 0     C14 0     C15
CONNECT  BCBBK  C14 sp3       0     C13
CONNECT  BCBBK  C15 sp3       0     C13 0     C16
CONNECT  BCBBK  C16 sp3       0     C15 0     C17
CONNECT  BCBBK  C17 sp3       0     C16 0     C18
CONNECT  BCBBK  C18 sp3       0     C17 0     C19 0     C20
CONNECT  BCBBK  C19 sp3       0     C18
CONNECT  BCBBK  C20 sp3       0     C18
CONNECT  BCB01 MG   sp3       0     N A 0     N B 0     N C 0     N D
CONNECT  BCB01  CHA sp2       0     C1A 0     C4D 0     CBD
CONNECT  BCB01  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  BCB01  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  BCB01  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  BCB01  N A sp2       0    MG   0     C1A 0     C4A
CONNECT  BCB01  C1A sp2       0     CHA 0     N A 0     C2A
CONNECT  BCB01  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  BCB01  C3A sp3       0     C2A 0     C4A 0     CMA 0     H3A
CONNECT  BCB01  C4A sp2       0     CHB 0     N A 0     C3A
CONNECT  BCB01  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  BCB01  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  BCB01  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  BCB01  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  BCB01  O1A s         0     CGA
CONNECT  BCB01  O2A sp        0     CGA 0     C1
CONNECT  BCB01  N B sp2       0    MG   0     C1B 0     C4B
CONNECT  BCB01  C1B sp2       0     CHB 0     N B 0     C2B
CONNECT  BCB01  C2B sp2       0     C1B 0     C3B 0     CMB
CONNECT  BCB01  C3B sp2       0     C2B 0     C4B 0     CAB
CONNECT  BCB01  C4B sp2       0     CHC 0     N B 0     C3B
CONNECT  BCB01  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  BCB01  CAB sp2       0     C3B 0     CBB 0     OBB
CONNECT  BCB01  OBB s         0     CAB
CONNECT  BCB01  CBB sp3       0     CAB 0    1HBB 0    2HBB 0    3HBB
CONNECT  BCB01  N C sp2       0    MG   0     C1C 0     C4C
CONNECT  BCB01  C1C sp2       0     CHC 0     N C 0     C2C
CONNECT  BCB01  C2C sp2       0     C1C 0     C3C 0     CMC
CONNECT  BCB01  C3C sp2       0     C2C 0     C4C 0     CAC
CONNECT  BCB01  C4C sp2       0     CHD 0     N C 0     C3C
CONNECT  BCB01  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  BCB01  CAC sp3       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  BCB01  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  BCB01  N D sp2       0    MG   0     C1D 0     C4D
CONNECT  BCB01  C1D sp2       0     CHD 0     N D 0     C2D
CONNECT  BCB01  C2D sp2       0     C1D 0     C3D 0     CMD
CONNECT  BCB01  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  BCB01  C4D sp2       0     CHA 0     N D 0     C3D
CONNECT  BCB01  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  BCB01  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  BCB01  OBD s         0     CAD
CONNECT  BCB01  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  BCB01  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  BCB01  O1D s         0     CGD
CONNECT  BCB01  O2D sp        0     CGD 0     CED
CONNECT  BCB01  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED
CONNECT  BCB01  C1  sp3       0     O2A 0     C2  0    1H1  0    2H1
CONNECT  BCB01  HHB s         0     CHB
CONNECT  BCB01  HHC s         0     CHC
CONNECT  BCB01  HHD s         0     CHD
CONNECT  BCB01  H2A s         0     C2A
CONNECT  BCB01  H3A s         0     C3A
CONNECT  BCB01 1HMA s         0     CMA
CONNECT  BCB01 2HMA s         0     CMA
CONNECT  BCB01 3HMA s         0     CMA
CONNECT  BCB01 1HAA s         0     CAA
CONNECT  BCB01 2HAA s         0     CAA
CONNECT  BCB01 1HBA s         0     CBA
CONNECT  BCB01 2HBA s         0     CBA
CONNECT  BCB01 1HMB s         0     CMB
CONNECT  BCB01 2HMB s         0     CMB
CONNECT  BCB01 3HMB s         0     CMB
CONNECT  BCB01 1HBB s         0     CBB
CONNECT  BCB01 2HBB s         0     CBB
CONNECT  BCB01 3HBB s         0     CBB
CONNECT  BCB01 1HMC s         0     CMC
CONNECT  BCB01 2HMC s         0     CMC
CONNECT  BCB01 3HMC s         0     CMC
CONNECT  BCB01 1HAC s         0     CAC
CONNECT  BCB01 2HAC s         0     CAC
CONNECT  BCB01 1HBC s         0     CBC
CONNECT  BCB01 2HBC s         0     CBC
CONNECT  BCB01 3HBC s         0     CBC
CONNECT  BCB01 1HMD s         0     CMD
CONNECT  BCB01 2HMD s         0     CMD
CONNECT  BCB01 3HMD s         0     CMD
CONNECT  BCB01  HBD s         0     CBD
CONNECT  BCB01 1HED s         0     CED
CONNECT  BCB01 2HED s         0     CED
CONNECT  BCB01 3HED s         0     CED
CONNECT  BCB01 1H1  s         0     C1
CONNECT  BCB01 2H1  s         0     C1
CONNECT  BCB+1  MG  sp3       0     N A 0     N B 0     N C 0    N D
CONNECT  BCB+1  CHA sp2       0     C1A 0     C4D 0     CBD
CONNECT  BCB+1  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  BCB+1  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  BCB+1  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  BCB+1  N A sp2       0    MG   0     C1A 0     C4A
CONNECT  BCB+1  C1A sp2       0     CHA 0     N A 0     C2A
CONNECT  BCB+1  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  BCB+1  C3A sp3       0     C2A 0     C4A 0     CMA 0     H3A
CONNECT  BCB+1  C4A sp2       0     CHB 0     N A 0     C3A
CONNECT  BCB+1  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  BCB+1  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  BCB+1  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  BCB+1  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  BCB+1  O1A s         0     CGA
CONNECT  BCB+1  O2A sp        0     CGA 0     C1
CONNECT  BCB+1  N B sp2       0    MG   0     C1B 0     C4B
CONNECT  BCB+1  C1B sp2       0     CHB 0     N B 0     C2B
CONNECT  BCB+1  C2B sp2       0     C1B 0     C3B 0     CMB
CONNECT  BCB+1  C3B sp2       0     C2B 0     C4B 0     CAB
CONNECT  BCB+1  C4B sp2       0     CHC 0     N B 0     C3B
CONNECT  BCB+1  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  BCB+1  CAB sp2       0     C3B 0     CBB 0     OBB
CONNECT  BCB+1  OBB s         0     CAB
CONNECT  BCB+1  CBB sp3       0     CAB 0    1HBB 0    2HBB 0    3HBB
CONNECT  BCB+1  N C sp2       0    MG   0     C1C 0     C4C
CONNECT  BCB+1  C1C sp2       0     CHC 0     N C 0     C2C
CONNECT  BCB+1  C2C sp2       0     C1C 0     C3C 0     CMC
CONNECT  BCB+1  C3C sp2       0     C2C 0     C4C 0     CAC
CONNECT  BCB+1  C4C sp2       0     CHD 0     N C 0     C3C
CONNECT  BCB+1  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  BCB+1  CAC sp3       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  BCB+1  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  BCB+1  N D sp2       0    MG   0     C1D 0     C4D
CONNECT  BCB+1  C1D sp2       0     CHD 0     N D 0     C2D
CONNECT  BCB+1  C2D sp2       0     C1D 0     C3D 0     CMD
CONNECT  BCB+1  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  BCB+1  C4D sp2       0     CHA 0     N D 0     C3D
CONNECT  BCB+1  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  BCB+1  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  BCB+1  OBD s         0     CAD
CONNECT  BCB+1  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  BCB+1  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  BCB+1  O1D s         0     CGD
CONNECT  BCB+1  O2D sp        0     CGD 0     CED
CONNECT  BCB+1  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED
CONNECT  BCB+1  C1  sp3       0     O2A 0     C2  0    1H1  0    2H1
CONNECT  BCB+1  HHB s         0     CHB
CONNECT  BCB+1  HHC s         0     CHC
CONNECT  BCB+1  HHD s         0     CHD
CONNECT  BCB+1  H2A s         0     C2A
CONNECT  BCB+1  H3A s         0     C3A
CONNECT  BCB+1 1HMA s         0     CMA
CONNECT  BCB+1 2HMA s         0     CMA
CONNECT  BCB+1 3HMA s         0     CMA
CONNECT  BCB+1 1HAA s         0     CAA
CONNECT  BCB+1 2HAA s         0     CAA
CONNECT  BCB+1 1HBA s         0     CBA
CONNECT  BCB+1 2HBA s         0     CBA
CONNECT  BCB+1 1HMB s         0     CMB
CONNECT  BCB+1 2HMB s         0     CMB
CONNECT  BCB+1 3HMB s         0     CMB
CONNECT  BCB+1 1HBB s         0     CBB
CONNECT  BCB+1 2HBB s         0     CBB
CONNECT  BCB+1 3HBB s         0     CBB
CONNECT  BCB+1 1HMC s         0     CMC
CONNECT  BCB+1 2HMC s         0     CMC
CONNECT  BCB+1 3HMC s         0     CMC
CONNECT  BCB+1 1HAC s         0     CAC
CONNECT  BCB+1 2HAC s         0     CAC
CONNECT  BCB+1 1HBC s         0     CBC
CONNECT  BCB+1 2HBC s         0     CBC
CONNECT  BCB+1 3HBC s         0     CBC
CONNECT  BCB+1 1HMD s         0     CMD
CONNECT  BCB+1 2HMD s         0     CMD
CONNECT  BCB+1 3HMD s         0     CMD
CONNECT  BCB+1  HBD s         0     CBD
CONNECT  BCB+1 1HED s         0     CED
CONNECT  BCB+1 2HED s         0     CED
CONNECT  BCB+1 3HED s         0     CED
CONNECT  BCB+1 1H1  s         0     C1
CONNECT  BCB+1 2H1  s         0     C1




RADIUS   BCB   C2   1.800000
RADIUS   BCB   C3   1.800000
RADIUS   BCB   C4   1.800000
RADIUS   BCB   C5   1.800000
RADIUS   BCB   C6   1.800000
RADIUS   BCB   C7   1.800000
RADIUS   BCB   C8   1.800000
RADIUS   BCB   C9   1.800000
RADIUS   BCB   C10  1.800000
RADIUS   BCB   C11  1.800000
RADIUS   BCB   C12  1.800000
RADIUS   BCB   C13  1.800000
RADIUS   BCB   C14  1.800000
RADIUS   BCB   C15  1.800000
RADIUS   BCB   C16  1.800000
RADIUS   BCB   C17  1.800000
RADIUS   BCB   C18  1.800000
RADIUS   BCB   C19  1.800000
RADIUS   BCB   C20  1.800000
RADIUS   BCB   MG   1.450000
RADIUS   BCB   CHA  1.200000
RADIUS   BCB   CHB  1.200000
RADIUS   BCB   CHC  1.200000
RADIUS   BCB   CHD  1.200000
RADIUS   BCB   N A  1.500000
RADIUS   BCB   C1A  1.800000
RADIUS   BCB   C2A  1.800000
RADIUS   BCB   C3A  1.800000
RADIUS   BCB   C4A  1.800000
RADIUS   BCB   CMA  1.800000
RADIUS   BCB   CAA  1.800000
RADIUS   BCB   CBA  1.800000
RADIUS   BCB   CGA  1.800000
RADIUS   BCB   O1A  1.600000
RADIUS   BCB   O2A  1.600000
RADIUS   BCB   N B  1.500000
RADIUS   BCB   C1B  1.800000
RADIUS   BCB   C2B  1.800000
RADIUS   BCB   C3B  1.800000
RADIUS   BCB   C4B  1.800000
RADIUS   BCB   CMB  1.800000
RADIUS   BCB   CAB  1.800000
RADIUS   BCB   OBB  1.600000
RADIUS   BCB   CBB  1.800000
RADIUS   BCB   N C  1.800000
RADIUS   BCB   C1C  1.800000
RADIUS   BCB   C2C  1.800000
RADIUS   BCB   C3C  1.800000
RADIUS   BCB   C4C  1.800000
RADIUS   BCB   CMC  1.800000
RADIUS   BCB   CAC  1.800000
RADIUS   BCB   CBC  1.800000
RADIUS   BCB   N D  1.500000
RADIUS   BCB   C1D  1.800000
RADIUS   BCB   C2D  1.800000
RADIUS   BCB   C3D  1.800000
RADIUS   BCB   C4D  1.800000
RADIUS   BCB   CMD  1.800000
RADIUS   BCB   CAD  1.800000
RADIUS   BCB   OBD  1.600000
RADIUS   BCB   CBD  1.800000
RADIUS   BCB   CGD  1.800000
RADIUS   BCB   O1D  1.600000
RADIUS   BCB   O2D  1.600000
RADIUS   BCB   CED  1.800000
RADIUS   BCB   C1   1.800000
RADIUS   BCB   HHB  1.200000
RADIUS   BCB   HHC  1.800000
RADIUS   BCB   HHC  1.200000
RADIUS   BCB   HHD  1.200000
RADIUS   BCB   H2A  1.200000
RADIUS   BCB   H3A  1.200000
RADIUS   BCB   1HMA 1.200000
RADIUS   BCB   2HMA 1.200000
RADIUS   BCB   3HMA 1.200000
RADIUS   BCB   1HAA 1.200000
RADIUS   BCB   2HAA 1.200000
RADIUS   BCB   1HBA 1.200000
RADIUS   BCB   2HBA 1.200000
RADIUS   BCB   1HMB 1.200000
RADIUS   BCB   2HMB 1.200000
RADIUS   BCB   3HMB 1.200000
RADIUS   BCB   1HBB 1.200000
RADIUS   BCB   2HBB 1.200000
RADIUS   BCB   3HBB 1.200000
RADIUS   BCB   1HMC 1.200000
RADIUS   BCB   2HMC 1.800000
RADIUS   BCB   3HMC 1.800000
RADIUS   BCB   1HAC 1.200000
RADIUS   BCB   2HAC 1.200000
RADIUS   BCB   1HBC 1.200000
RADIUS   BCB   2HBC 1.200000
RADIUS   BCB   3HBC 1.200000
RADIUS   BCB   1HMD 1.200000
RADIUS   BCB   2HMD 1.200000
RADIUS   BCB   3HMD 1.200000
RADIUS   BCB   HBD  1.200000
RADIUS   BCB   1HED 1.200000
RADIUS   BCB   2HED 1.200000
RADIUS   BCB   3HED 1.200000
RADIUS   BCB   1H1  1.200000
RADIUS   BCB   2H1  1.200000


CHARGE   BCBBK C2   0.000
CHARGE   BCBBK C3   0.000
CHARGE   BCBBK C4   0.000
CHARGE   BCBBK C5   0.000
CHARGE   BCBBK C6   0.000
CHARGE   BCBBK C7   0.000
CHARGE   BCBBK C8   0.000
CHARGE   BCBBK C9   0.000
CHARGE   BCBBK C10  0.000
CHARGE   BCBBK C11  0.000
CHARGE   BCBBK C12  0.000
CHARGE   BCBBK C13  0.000
CHARGE   BCBBK C14  0.000
CHARGE   BCBBK C15  0.000
CHARGE   BCBBK C16  0.000
CHARGE   BCBBK C17  0.000
CHARGE   BCBBK C18  0.000
CHARGE   BCBBK C19  0.000
CHARGE   BCBBK C20  0.000
CHARGE   BCB01 MG   0.581
CHARGE   BCB01 CHA  -0.142
CHARGE   BCB01 CHB  -0.254
CHARGE   BCB01 CHC  0.001
CHARGE   BCB01 CHD  0.034
CHARGE   BCB01 N A  -0.015
CHARGE   BCB01 C1A  0.012
CHARGE   BCB01 C2A  -0.176
CHARGE   BCB01 C3A  -0.161
CHARGE   BCB01 C4A  -0.032
CHARGE   BCB01 CMA  -0.330
CHARGE   BCB01 CAA  -0.247
CHARGE   BCB01 CBA  -0.281
CHARGE   BCB01 CGA  0.390
CHARGE   BCB01 O1A  -0.410
CHARGE   BCB01 O2A  -0.275
CHARGE   BCB01 N B  -0.054
CHARGE   BCB01 C1B  -0.008
CHARGE   BCB01 C2B  -0.095
CHARGE   BCB01 C3B  -0.179
CHARGE   BCB01 C4B  -0.119
CHARGE   BCB01 CMB  -0.262
CHARGE   BCB01 CAB  0.372
CHARGE   BCB01 OBB  -0.340
CHARGE   BCB01 CBB  -0.420
CHARGE   BCB01 N C  0.095
CHARGE   BCB01 C1C  -0.166
CHARGE   BCB01 C2C  -0.121
CHARGE   BCB01 C3C  -0.120
CHARGE   BCB01 C4C  -0.195
CHARGE   BCB01 CMC  -0.234
CHARGE   BCB01 CAC  -0.176
CHARGE   BCB01 CBC  -0.326
CHARGE   BCB01 N D  0.012
CHARGE   BCB01 C1D  -0.212
CHARGE   BCB01 C2D  0.059
CHARGE   BCB01 C3D  -0.307
CHARGE   BCB01 C4D  -0.070
CHARGE   BCB01 CMD  -0.271
CHARGE   BCB01 CAD  0.423
CHARGE   BCB01 OBD  -0.307
CHARGE   BCB01 CBD  -0.144
CHARGE   BCB01 CGD  0.406
CHARGE   BCB01 O1D  -0.409
CHARGE   BCB01 O2D  -0.256
CHARGE   BCB01 CED  -0.116
CHARGE   BCB01 C1   -0.139
CHARGE   BCB01 HHB  0.207
CHARGE   BCB01 HHC  0.215
CHARGE   BCB01 HHD  0.188
CHARGE   BCB01 H2A  0.192
CHARGE   BCB01 H3A  0.173
CHARGE   BCB01 1HMA 0.124
CHARGE   BCB01 2HMA 0.124
CHARGE   BCB01 3HMA 0.124
CHARGE   BCB01 1HAA 0.160
CHARGE   BCB01 2HAA 0.160
CHARGE   BCB01 1HBA 0.168
CHARGE   BCB01 2HBA 0.168
CHARGE   BCB01 1HMB 0.126
CHARGE   BCB01 2HMB 0.126
CHARGE   BCB01 3HMB 0.126
CHARGE   BCB01 1HBB 0.153
CHARGE   BCB01 2HBB 0.153
CHARGE   BCB01 3HBB 0.153
CHARGE   BCB01 1HMC 0.121
CHARGE   BCB01 2HMC 0.121
CHARGE   BCB01 3HMC 0.121
CHARGE   BCB01 1HAC 0.142
CHARGE   BCB01 2HAC 0.142
CHARGE   BCB01 1HBC 0.115
CHARGE   BCB01 2HBC 0.115
CHARGE   BCB01 3HBC 0.115
CHARGE   BCB01 1HMD 0.131
CHARGE   BCB01 2HMD 0.131
CHARGE   BCB01 3HMD 0.131
CHARGE   BCB01 HBD  0.192
CHARGE   BCB01 1HED 0.109
CHARGE   BCB01 2HED 0.109
CHARGE   BCB01 3HED 0.109
CHARGE   BCB01 1H1  0.120
CHARGE   BCB01 2H1  0.120
CHARGE   BCB+1 MG   0.667
CHARGE   BCB+1 CHA  -0.152
CHARGE   BCB+1 CHB  -0.260
CHARGE   BCB+1 CHC  -0.096
CHARGE   BCB+1 CHD  -0.092
CHARGE   BCB+1 N A  -0.094
CHARGE   BCB+1 C1A  0.123
CHARGE   BCB+1 C2A  -0.204
CHARGE   BCB+1 C3A  -0.181
CHARGE   BCB+1 C4A  0.053
CHARGE   BCB+1 CMA  -0.327
CHARGE   BCB+1 CAA  -0.243
CHARGE   BCB+1 CBA  -0.280
CHARGE   BCB+1 CGA  0.396
CHARGE   BCB+1 O1A  -0.412
CHARGE   BCB+1 O2A  -0.268
CHARGE   BCB+1 N B  0.113
CHARGE   BCB+1 C1B  0.053
CHARGE   BCB+1 C2B  -0.043
CHARGE   BCB+1 C3B  -0.197
CHARGE   BCB+1 C4B  -0.001
CHARGE   BCB+1 CMB  -0.279
CHARGE   BCB+1 CAB  0.365
CHARGE   BCB+1 OBB  -0.311
CHARGE   BCB+1 CBB  -0.409
CHARGE   BCB+1 N C  0.026
CHARGE   BCB+1 C1C  -0.035
CHARGE   BCB+1 C2C  -0.108
CHARGE   BCB+1 C3C  -0.117
CHARGE   BCB+1 C4C  -0.042
CHARGE   BCB+1 CMC  -0.245
CHARGE   BCB+1 CAC  -0.179
CHARGE   BCB+1 CBC  -0.325
CHARGE   BCB+1 N D  -0.064
CHARGE   BCB+1 C1D  -0.064
CHARGE   BCB+1 C2D  0.018
CHARGE   BCB+1 C3D  -0.220
CHARGE   BCB+1 C4D  -0.023
CHARGE   BCB+1 CMD  -0.271
CHARGE   BCB+1 CAD  0.393
CHARGE   BCB+1 OBD  -0.240
CHARGE   BCB+1 CBD  -0.156
CHARGE   BCB+1 CGD  0.415
CHARGE   BCB+1 O1D  -0.418
CHARGE   BCB+1 O2D  -0.247
CHARGE   BCB+1 CED  -0.117
CHARGE   BCB+1 C1   -0.139
CHARGE   BCB+1 HHB  0.228
CHARGE   BCB+1 HHC  0.243
CHARGE   BCB+1 HHD  0.219
CHARGE   BCB+1 H2A  0.211
CHARGE   BCB+1 H3A  0.191
CHARGE   BCB+1 1HMA 0.127
CHARGE   BCB+1 2HMA 0.127
CHARGE   BCB+1 3HMA 0.127
CHARGE   BCB+1 1HAA 0.157
CHARGE   BCB+1 2HAA 0.157
CHARGE   BCB+1 1HBA 0.163
CHARGE   BCB+1 2HBA 0.163
CHARGE   BCB+1 1HMB 0.140
CHARGE   BCB+1 2HMB 0.140
CHARGE   BCB+1 3HMB 0.140
CHARGE   BCB+1 1HBB 0.154
CHARGE   BCB+1 2HBB 0.154
CHARGE   BCB+1 3HBB 0.154
CHARGE   BCB+1 1HMC 0.133
CHARGE   BCB+1 2HMC 0.133
CHARGE   BCB+1 3HMC 0.133
CHARGE   BCB+1 1HAC 0.150
CHARGE   BCB+1 2HAC 0.150
CHARGE   BCB+1 1HBC 0.117
CHARGE   BCB+1 2HBC 0.117
CHARGE   BCB+1 3HBC 0.117
CHARGE   BCB+1 1HMD 0.139
CHARGE   BCB+1 2HMD 0.139
CHARGE   BCB+1 3HMD 0.139
CHARGE   BCB+1 HBD  0.204
CHARGE   BCB+1 1HED 0.111
CHARGE   BCB+1 2HED 0.111
CHARGE   BCB+1 3HED 0.111
CHARGE   BCB+1 1H1  0.119
CHARGE   BCB+1 2H1  0.119
